CHEBI:2691 - isoamyl nitrite

ChEBI IDCHEBI:2691
ChEBI Nameisoamyl nitrite
Stars
DefinitionA nitrite ester having isopentyl as the alkyl group.
Last Modified6 January 2010
DownloadsMolfile
FormulaC5H11NO2
Net Charge0
Average Mass117.148
Monoisotopic Mass117.07898
SMILESCC(C)CCON=O
InChIInChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
InChIKeyOWFXIOWLTKNBAP-UHFFFAOYSA-N
Roles Classification
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
isoamyl nitrite (CHEBI:2691) has functional parent isoamylol (CHEBI:15837)
isoamyl nitrite (CHEBI:2691) has role antihypertensive agent (CHEBI:35674)
isoamyl nitrite (CHEBI:2691) has role vasodilator agent (CHEBI:35620)
isoamyl nitrite (CHEBI:2691) is a nitrite esters (CHEBI:46649)
IUPAC Name 
3-methylbutyl nitrite
Synonyms  Source
Isoamyl nitriteKEGG COMPOUND
isopentyl nitriteNIST Chemistry WebBook
3-methylbutanol nitriteNIST Chemistry WebBook
nitrous acid, isopentyl esterNIST Chemistry WebBook
NitramylChemIDplus
nitrous acid, 3-methylbutyl esterChemIDplus
Manual XrefsDatabases
C07457KEGG COMPOUND
D00517KEGG DRUG
DB01612DrugBank
Registry NumbersSources
Beilstein:969510Beilstein
Gmelin:164559Gmelin
CAS:110-46-3KEGG COMPOUND
CAS:110-46-3NIST Chemistry WebBook
CAS:110-46-3ChemIDplus
CAS:110-46-3KEGG DRUG
CAS:110-46-3DrugBank